Geometry & MOs

Info

ID:	187447
PubChem CID:	77572288
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	396.228717
ΔH_f, kcal/mol:	-171.34
Dipole, Da:	4.04
IP(EA), eV:	-9.55(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3'-hydroxyspiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CC1=C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations